| CAS Number | 2089650-08-6 |
| Catalog Number | AG01JHJR |
| Chemical Name | (5-Ethyl-1,2,4-oxadiazol-3-yl)methanamine 4-methylbenzenesulfonate |
| IUPAC Name | (5-ethyl-1,2,4-oxadiazol-3-yl)methanamine;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C7H8O3S.C5H9N3O/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-5-7-4(3-6)8-9-5/h2-5H,1H3,(H,8,9,10);2-3,6H2,1H3 |
| InChI Key | FEULWHSCPDSGIJ-UHFFFAOYSA-N |
| MDL Number | MFCD09258528 |
| Molecular Formula | C12H17N3O4S |
| Molecular Weight | 299.3461 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C(C)C1=NC(=NO1)CN |
| Synonyms | (5-ETHYL-1,2,4-OXADIAZOL-3-YL)METHANAMINE 4-METHYLBENZENESULFONATE,
2089650-08-6,
CS-16019,
CS-0084282,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.093977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.35g/mol |
| Monoisotopic Mass | 299.093977g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 128Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number